Package schrodinger :: Package application :: Package matsci :: Package espresso

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Package espresso

Quantum Espresso integration functionality

Submodules

schrodinger.application.matsci.espresso.ppdb: Classes and functions to deal with pseudopotentials database.
schrodinger.application.matsci.espresso.qeinput: Classes and functions to deal with XML input generation for Quantum Espresso.
schrodinger.application.matsci.espresso.qeoutput: Classes and functions to deal reading XML generated by Quantum Espresso.
schrodinger.application.matsci.espresso.utils

Variables

__package__ = None
hash(x)